4OQ3
Tetra-substituted imidazoles as a new class of inhibitors of the p53-MDM2 interaction
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00146 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.814, 165.528, 34.236 |
| Unit cell angles | 90.00, 95.06, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.1959 |
| Rwork | 0.194 |
| R-free | 0.22430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dij |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.184 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.3.0040) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.938 | 2.302 |
| Rmerge | 0.119 | 0.064 | 0.157 |
| Number of reflections | 16534 | ||
| <I/σ(I)> | 10.9 | ||
| Completeness [%] | 97.8 | 96.2 | 97.3 |
| Redundancy | 6.1 | 8.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 2.4M AmSO4, 0.1M Tris, 0.1M NaCitrate, pH 8.0, vapor diffusion, hanging drop, temperature 298K |
